N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-phenylacetamide
Chemical Structure Depiction of
N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-phenylacetamide
N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-phenylacetamide
Compound characteristics
| Compound ID: | V024-5153 |
| Compound Name: | N-{[2-(ethylcarbamothioyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-phenylacetamide |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C23 H29 N3 O3 S |
| Smiles: | CCNC(N1CCc2cc(c(cc2C1CNC(Cc1ccccc1)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3289 |
| logD: | 2.3289 |
| logSw: | -2.9506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.015 |
| InChI Key: | PKGJVPFUMILFLU-IBGZPJMESA-N |